CID 3063857

101708-05-8

Structural Information

Molecular Formula
C13H15N3O
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=NNC(=C2)C)C
InChI
InChI=1S/C13H15N3O/c1-8-5-4-6-11(10(8)3)14-13(17)12-7-9(2)15-16-12/h4-7H,1-3H3,(H,14,17)(H,15,16)
InChIKey
USSCDEBZNIYAFY-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 152.6
[M+Na]+ 252.110718 161.1
[M-H]- 228.114224 156.2
[M+NH4]+ 247.155323 169.2
[M+K]+ 268.084658 156.8
[M+H-H2O]+ 212.118760 144.6
[M+HCOO]- 274.119701 174.5
[M+CH3COO]- 288.135351 191.4
[M+Na-2H]- 250.096166 155.3
[M]+ 229.12095142 151.8
[M]- 229.12204858 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.